(2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide

C18H35N3O3 — CID 95298106

IUPAC(2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide
SMILESCOCCN(C)CCCNC(=O)[C@@H](C)NC(=O)CC1CCCCC1
InChIInChI=1S/C18H35N3O3/c1-15(20-17(22)14-16-8-5-4-6-9-16)18(23)19-10-7-11-21(2)12-13-24-3/h15-16H,4-14H2,1-3H3,(H,19,23)(H,20,22)/t15-/m1/s1
InChIKeyNDJFNEUSQTWFMK-OAHLLOKOSA-N
MW341.50 g/mol
LogP1.55
Rot. Bonds11

About (2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide

(2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide (PubChem CID 95298106) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is (2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide
PubChem CID95298106
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Name(2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide
SMILESCOCCN(C)CCCNC(=O)[C@@H](C)NC(=O)CC1CCCCC1
InChIInChI=1S/C18H35N3O3/c1-15(20-17(22)14-16-8-5-4-6-9-16)18(23)19-10-7-11-21(2)12-13-24-3/h15-16H,4-14H2,1-3H3,(H,19,23)(H,20,22)/t15-/m1/s1
InChIKeyNDJFNEUSQTWFMK-OAHLLOKOSA-N
XLogP1.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid
CID 119219690
N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
CID 119499014
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119855422
(2S)-2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-methylbutanoic acid
CID 119359472
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-piperidin-4-ylacetamide;dihydrochloride
CID 119871091
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
CID 95305329
2-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119855427
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
2-cyclohexyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799313

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide?
The IUPAC name of (2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide (CID 95298106) is (2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide.
What is the SMILES notation for (2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide?
The canonical SMILES for (2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide is COCCN(C)CCCNC(=O)[C@@H](C)NC(=O)CC1CCCCC1.
What is the InChIKey of (2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide?
The InChIKey is NDJFNEUSQTWFMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-15(20-17(22)14-16-8-5-4-6-9-16)18(23)19-10-7-11-21(2)12-13-24-3/h15-16H,4-14H2,1-3H3,(H,19,23)(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide?
(2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide has a molecular weight of 341.50 g/mol, XLogP of 1.55, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide is sourced from PubChem (CID 95298106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).